庚酸
TL;DR: 庚酸 (CAS 111-14-8) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸
heptanoic acid
Also Known As: HEPTANOIC ACID, Enanthic acid, Enanthylic acid, Oenanthic acid, Heptoic acid
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | -8.9 °C |
| Boiling Point | 432 to 245.0 °C at 760 mmHg |
| Density | 0.92 at 20.0 °C - Less dense than water; will float |
| Solubility | 1 to 10 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 1 mmHg at 77.8 °C ; 100 mmHg at 160.0 °C; 760 mmHg at 221.5 °C |
| Refractive Index | 1.42162 at 20 °C; 1.4289 at 15 °C |
Chemical Identifiers
| CAS Number | 111-14-8 |
|---|---|
| SMILES | CCCCCCC(=O)O |
| InChIKey | MNWFXJYAOYHMED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸 (CAS 111-14-8), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: heptanoic acid.
Chemical Property Profile of 庚酸
Property Insights of 庚酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 庚酸. With a topological polar surface area (TPSA) of 37.3 Ų, 庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 庚酸?
The CAS number of 庚酸 is 111-14-8.
What is the molecular formula of 庚酸?
The molecular formula of 庚酸 is C7H14O2.
What is the molecular weight of 庚酸?
The molecular weight of 庚酸 is 130.10 g/mol.
Where can I buy 庚酸?
You can request a quote for 庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸?
Yes, KEHONG BIO provides custom synthesis services for 庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.